@MOLECULE 2-[(5-chrysenylmethyl)amino]-3,7-dihydro-6h-purin-6-one 47 52 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.6570 0.3644 -2.4963 O.2 1 UNL1 -0.4424 2 N -1.1118 -0.6566 0.3095 N.pl3 1 UNL1 -0.5200 3 N -3.2914 -1.0307 1.1261 N.ar 1 UNL1 -0.5085 4 N -2.9176 -0.2207 -1.1307 N.ar 1 UNL1 -0.6238 5 N -6.5426 -0.3568 -0.1541 N.ar 1 UNL1 -0.2790 6 N -5.6807 -1.0986 1.8097 N.ar 1 UNL1 -0.4219 7 C 2.1308 0.5026 -0.0920 C.ar 1 UNL1 -0.0136 8 C 3.5013 0.2051 -0.0742 C.ar 1 UNL1 -0.0104 9 C 1.2186 -0.5680 -0.3831 C.ar 1 UNL1 -0.0358 10 C 3.9540 -1.1610 -0.0117 C.ar 1 UNL1 -0.0054 11 C 1.7252 1.8700 0.1444 C.ar 1 UNL1 -0.0038 12 C 3.0116 -2.1988 -0.1372 C.ar 1 UNL1 -0.0126 13 C 1.6487 -1.8658 -0.3896 C.ar 1 UNL1 -0.1711 14 C -0.2037 -0.3392 -0.8203 C.3 1 UNL1 -0.0675 15 C 2.6806 2.9010 0.0178 C.ar 1 UNL1 -0.0103 16 C 4.4562 1.2697 -0.1525 C.ar 1 UNL1 -0.1605 17 C 4.0585 2.5689 -0.1750 C.ar 1 UNL1 -0.1404 18 C 5.3114 -1.5071 0.2047 C.ar 1 UNL1 -0.1505 19 C 0.4266 2.2347 0.5750 C.ar 1 UNL1 -0.1508 20 C 3.4239 -3.5511 -0.0497 C.ar 1 UNL1 -0.1521 21 C 2.2920 4.2565 0.1405 C.ar 1 UNL1 -0.1592 22 C 5.6982 -2.8244 0.2910 C.ar 1 UNL1 -0.1414 23 C 4.7469 -3.8591 0.1611 C.ar 1 UNL1 -0.1431 24 C 0.0635 3.5556 0.7149 C.ar 1 UNL1 -0.1419 25 C -2.4722 -0.6344 0.0398 C.ar 1 UNL1 0.5791 26 C 0.9950 4.5822 0.4625 C.ar 1 UNL1 -0.1425 27 C -4.6486 -0.8549 0.9227 C.ar 1 UNL1 0.2626 28 C -5.1634 -0.3886 -0.3090 C.ar 1 UNL1 -0.2499 29 C -4.2816 -0.0372 -1.4231 C.ar 1 UNL1 0.6266 30 C -6.8166 -0.7907 1.1350 C.ar 1 UNL1 0.1232 31 H -0.3975 0.7101 -1.1587 H 1 UNL1 0.1890 32 H -0.4481 -0.9627 -1.7190 H 1 UNL1 0.1710 33 H 0.9633 -2.6826 -0.6210 H 1 UNL1 0.1600 34 H 5.5138 1.0183 -0.2336 H 1 UNL1 0.1587 35 H 4.7761 3.3782 -0.3030 H 1 UNL1 0.1563 36 H 6.0549 -0.7183 0.3175 H 1 UNL1 0.1563 37 H -0.2925 1.4608 0.8453 H 1 UNL1 0.1783 38 H 2.6789 -4.3384 -0.1507 H 1 UNL1 0.1532 39 H -0.7549 -1.3332 0.9752 H 1 UNL1 0.3123 40 H 3.0377 5.0344 -0.0127 H 1 UNL1 0.1514 41 H 6.7418 -3.0837 0.4628 H 1 UNL1 0.1523 42 H 5.0743 -4.8946 0.2307 H 1 UNL1 0.1514 43 H -0.9456 3.8175 1.0310 H 1 UNL1 0.1557 44 H 0.6844 5.6214 0.5465 H 1 UNL1 0.1501 45 H -2.9409 -1.2417 2.0492 H 1 UNL1 0.3385 46 H -7.1811 -0.0674 -0.8655 H 1 UNL1 0.3336 47 H -7.8112 -0.8714 1.5474 H 1 UNL1 0.1988 @BOND 1 1 29 2 2 32 14 1 3 29 4 ar 4 29 28 ar 5 31 14 1 6 4 25 ar 7 46 5 1 8 14 9 1 9 14 2 1 10 33 13 1 11 13 9 ar 12 13 12 ar 13 9 7 ar 14 28 5 ar 15 28 27 ar 16 35 17 1 17 34 16 1 18 17 16 ar 19 17 15 ar 20 5 30 ar 21 16 8 ar 22 38 20 1 23 12 20 ar 24 12 10 ar 25 7 8 ar 26 7 11 ar 27 8 10 ar 28 20 23 ar 29 40 21 1 30 10 18 ar 31 15 21 ar 32 15 11 ar 33 25 2 1 34 25 3 ar 35 21 26 ar 36 11 19 ar 37 23 42 1 38 23 22 ar 39 18 22 ar 40 18 36 1 41 22 41 1 42 2 39 1 43 26 44 1 44 26 24 ar 45 19 24 ar 46 19 37 1 47 24 43 1 48 27 3 ar 49 27 6 ar 50 3 45 1 51 30 47 1 52 30 6 ar